2-(furan-2-yl)propan-2-yl 3-methylbutanoate

C12H18O3 — CID 58845611

IUPAC2-(furan-2-yl)propan-2-yl 3-methylbutanoate
SMILESCC(C)CC(=O)OC(C)(C)c1ccco1
InChIInChI=1S/C12H18O3/c1-9(2)8-11(13)15-12(3,4)10-6-5-7-14-10/h5-7,9H,8H2,1-4H3
InChIKeyRSCKUTPIIIMVKE-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.10
Rot. Bonds4

About 2-(furan-2-yl)propan-2-yl 3-methylbutanoate

2-(furan-2-yl)propan-2-yl 3-methylbutanoate (PubChem CID 58845611) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(furan-2-yl)propan-2-yl 3-methylbutanoate.

Molecular Properties

Compound Name2-(furan-2-yl)propan-2-yl 3-methylbutanoate
PubChem CID58845611
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-(furan-2-yl)propan-2-yl 3-methylbutanoate
SMILESCC(C)CC(=O)OC(C)(C)c1ccco1
InChIInChI=1S/C12H18O3/c1-9(2)8-11(13)15-12(3,4)10-6-5-7-14-10/h5-7,9H,8H2,1-4H3
InChIKeyRSCKUTPIIIMVKE-UHFFFAOYSA-N
XLogP3.10
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 58734392
ethyl 3-(furan-2-yl)-3-hydroxy-4-methylpentanoate
CID 121002413
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
CID 111482352
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(3-methylbutoxy)propanamide
CID 111482542
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
CID 111480769
2-(furan-2-yl)-2-methoxypropanoic acid
CID 83827168
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111481934
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
2-(furan-2-yl)-2-methylbutanoate
CID 57375081
(2S)-2-amino-2-(furan-2-yl)propan-1-ol
CID 130605290
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)propan-2-yl 3-methylbutanoate?
The IUPAC name of 2-(furan-2-yl)propan-2-yl 3-methylbutanoate (CID 58845611) is 2-(furan-2-yl)propan-2-yl 3-methylbutanoate.
What is the SMILES notation for 2-(furan-2-yl)propan-2-yl 3-methylbutanoate?
The canonical SMILES for 2-(furan-2-yl)propan-2-yl 3-methylbutanoate is CC(C)CC(=O)OC(C)(C)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)propan-2-yl 3-methylbutanoate?
The InChIKey is RSCKUTPIIIMVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(2)8-11(13)15-12(3,4)10-6-5-7-14-10/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-(furan-2-yl)propan-2-yl 3-methylbutanoate?
2-(furan-2-yl)propan-2-yl 3-methylbutanoate has a molecular weight of 210.27 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)propan-2-yl 3-methylbutanoate is sourced from PubChem (CID 58845611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).